4-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(ethoxycarbonylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(carbethoxyamino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C12H15N3O5S/c1-4-20-12(19)15-8(16)5-21-10-9(11(17)18)6(2)13-7(3)14-10/h4-5H2,1-3H3,(H,17,18)(H,15,16,19)